(1s 2 2s 1 3p 1 ) 3 P Al 9+
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 3131.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 3p- electron | |
| 1 | 2p | 4.117115 | .97370929 |
| 2 | 3p | 3.396842 | -1.58917317 |
| 3 | 2p | 9.975131 | .03581714 |
| 4 | 4p | 10.643817 | .01741991 |
| 5 | 3p | 48.556024 | .00005187 |
| 6 | 5p | 2.444373 | .00042084 |
| 7 | 4p | 79.497162 | -.00001700 |
| ORB.ENERGY,a.u. | -5.846200 | ||
| NORM | 1.000000 | < R > | 1.187319 | < R2 > | 1.624051 | < 1/R > | 1.173291 | < 1/R**2 > | 2.830790 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 10.942035 | .39769095 |
| 2 | 2s | 5.308666 | -.79021550 |
| 3 | 3s | 6.855186 | -.29341635 |
| 4 | 5s | 11.518249 | -.02588327 |
| 5 | 4s | 23.256114 | .00557024 |
| 6 | 5s | 30.928381 | -.00121353 |
| 7 | 4s | 3.609568 | -.00083905 |
| 8 | 3s | 49.717347 | .00005038 |
| ORB.ENERGY,a.u. | -15.276000 | ||
| NORM | 1.000000 | < R > | .514996 | < R2 > | .309701 | < 1/R > | 2.856001 | < 1/R**2 > | 32.930153 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 12.432135 | .94010056 |
| 2 | 1s | 20.022846 | .04920404 |
| 3 | 2s | 14.998363 | .01470964 |
| 4 | 3s | 9.675517 | .00211090 |
| 5 | 4s | 52.141062 | -.00053326 |
| 6 | 5s | 69.692114 | .00019458 |
| 7 | 5s | 17.962267 | .00030933 |
| ORB.ENERGY,a.u. | -71.915000 |
| NORM | 1.000000 | < R > | .119053 | < R2 > | .018984 | < 1/R > | 12.670507 | < 1/R**2 > | 323.352212 |
Total Energy= -183.01444963 a.u.
Kinetic Energy= 183.02806243 a.u.
Potential Energy= -366.04251206 a.u.
Virial Ratio = -1.99992562